Compound Detail
CHEMBL1087539
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
O=C1C2=C3C4=[N+](CCc5c[nH]c1c54)C1C[C@@]34C[C@@H](N2)SC4=C[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL1087539 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UASAUPLJUYBGRK-AUXFETMMSA-O |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
338.4
MW (Da)
0.91
ALogP
4
HBA
3
HBD
68.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.68
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| K562 | IC50 | = | 2100.0 | nM | 5.68 | Cytotoxicity against human K562 cells assessed as viable cells after 72 hrs by M... | 20055495 |
| Sortase A | IC50 | = | 75700.0 | nM | 4.12 | Inhibition of Staphylococcus aureus sortase A after 1 hr in the presence of fluo... | 20055495 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20055495 | 10.1021/np9005629 | Sortase A | 1 |
| 20055495 | 10.1021/np9005629 | K562 | 1 |
| 20055495 | 10.1021/np9005629 | Salmonella enterica | 1 |
| 20055495 | 10.1021/np9005629 | Proteus vulgaris | 1 |
| 20055495 | 10.1021/np9005629 | Escherichia coli | 1 |
| 20055495 | 10.1021/np9005629 | Staphylococcus aureus | 1 |
| 20055495 | 10.1021/np9005629 | Micrococcus luteus | 1 |
| 20055495 | 10.1021/np9005629 | Bacillus subtilis | 1 |
Data from ChEMBL 36 via Core Engine